Geometry & MOs

Info

ID:	122066
PubChem CID:	50792633
Reduced:	Cl2N3O4H25C28 (1)
Stoich.:	A2B3C4D25E28 (1)
Weight, g/mol:	511.03431
ΔH_f, kcal/mol:	-77.03
Dipole, Da:	4.32
IP(EA), eV:	-8.7(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-3-oxo-2-phenyl-4H-chromeno[2,3-c]pyrazol-1-yl)-N-(3,4-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)C3=C(N2CC(=O)NC4=C(C=C(C(=C4)C)Cl)OC)OC5=C(C3)C=C(C=C5)Cl

DOS

IR

Vibrations